Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.78 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.78 |
| ▸ | NPC1 | O15118 | 11/20 | 0.65 |
| ▸ | RAB9A | P51151 | 11/20 | 0.65 |
| ▸ | MAPT | P10636 | 7/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.58 |
| ▸ | RELA | Q04206 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16592723 | 0.97 | NR1H4 (0.83) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16592612 | 0.94 | RAB9A (0.72) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16592771 | 0.90 | NR1H4 (0.63) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16602947 | 0.89 | NPC1 (0.83) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL6697420 | 0.88 | NR1H4 (1.00) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL7291752 | 0.88 | NR1H4 (1.00) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16592626 | 0.86 | NPC1 (0.64) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16592746 | 0.84 | NR1H4 (0.65) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL1608386 | 0.84 | RAB9A (0.70) | NR1H4S1PR1NPC1RAB9AMAPT | |
| SCHEMBL16592774 | 0.81 | S1PR1 (0.70) | NR1H4S1PR1NPC1RAB9AMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2853532-B1 | 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III | INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2020-12-09 | — | — | EP | disclosed |